Chemical Properties of 4-Ethylbenzoic acid, 2-methyloct-5-yn-4-yl ester

4-Ethylbenzoic acid, 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C18H24O2/c1-5-7-8-17(13-14(3)4)20-18(19)16-11-9-15(6-2)10-12-16/h9-12,14,17H,5-6,13H2,1-4H3
InChI Key
ZMVHFIKUBUHYDD-UHFFFAOYSA-N
Formula
C18H24O2
SMILES
CCC#CC(CC(C)C)OC(=O)c1ccc(CC)cc1
Molecular Weight1
272.38
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -224.20 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 34.89 kJ/mol Joback Calculated Property
logPoct/wat 4.234 Crippen Calculated Property
McVol 239.560 ml/mol McGowan Calculated Property
Inp 1965.90 NIST
Tboil 580.54 K Relay (1.0) Calculated Property
Tfus 254.40 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [665.97; 756.64] J/mol×K [727.31; 944.59] Show Hide
Cp,gas 665.97 J/mol×K 727.31 Joback Calculated Property
Cp,gas 683.82 J/mol×K 763.52 Joback Calculated Property
Cp,gas 700.53 J/mol×K 799.74 Joback Calculated Property
Cp,gas 716.13 J/mol×K 835.95 Joback Calculated Property
Cp,gas 730.66 J/mol×K 872.16 Joback Calculated Property
Cp,gas 744.15 J/mol×K 908.37 Joback Calculated Property
Cp,gas 756.64 J/mol×K 944.59 Joback Calculated Property

Similar Compounds

4-Ethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-butylbenzoic acid, 2-methyloct-5-yn-4-yl ester. p-Toluic acid, 2-methyloct-5-yn-4-yl ester. m-Toluic acid, 2-methyloct-5-yn-4-yl ester. 4-butylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. o-Toluic acid, 2-methyloct-5-yn-4-yl ester. 4-Ethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Cyanobenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-(Trifluoromethyl)benzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, isobutyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl propyl ester. Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester. Isophthalic acid, butyl 2-methyloct-5-yn-4-yl ester. o-Toluic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, ethyl 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to 4-Ethylbenzoic acid, 2-methyloct-5-yn-4-yl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.